FPG
Summary
| Name: | (1S)-1-[(1R)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE |
| Formula: | C10 H23 F O7 P2 |
| Formal charge: | 0 |
| Formula weight: | 336.231 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | (1S)-1-[(1R)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate |
| OpenEye OEToolkits | 1.5.0 | [(3S)-2-fluoro-3,7-dimethyl-octan-3-yl] phosphono hydrogen phosphate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)CCC[C@](C)(O[P@](O)(=O)O[P](O)(O)=O)[C@@H](C)F |
| SMILES | CACTVS | 3.341 | CC(C)CCC[C](C)(O[P](O)(=O)O[P](O)(O)=O)[CH](C)F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)CCC[C@@](C)(C(C)F)O[P@@](=O)(O)OP(=O)(O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)CCCC(C)(C(C)F)OP(=O)(O)OP(=O)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | JUOIVVAWJCVSPX-ZJUUUORDSA-N |
